SCHEMBL19488290

SCHEMBL19488290

CCCNCc1nc2ccc(-c3ccc(C#Cc4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
CACNA1B Q00975 1/20 0.30
TGFBR1 P36897 1/20 0.30
ROCK2 O75116 1/20 0.30
MELK Q14680 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19488554 0.87 SCN10A (0.40) SCN10AAAK1CACNA1BTGFBR1ROCK2
SCHEMBL19488306 0.84 SCN10A (0.39) SCN10AAAK1CACNA1BROCK2MELK
SCHEMBL10200266 0.83 SCN10A (0.50) SCN10AAAK1ROCK2
SCHEMBL19488473 0.83 SCN10A (0.39) SCN10AAAK1ROCK2MELK
SCHEMBL19488792 0.81 SCN10A (0.39) SCN10AAAK1TGFBR1
SCHEMBL19488471 0.80 SCN10A (0.40) SCN10AAAK1
SCHEMBL16405097 0.80 SCN10A (0.43) SCN10A
SCHEMBL19488580 0.78 SCN10A (0.37) SCN10A
SCHEMBL19488293 0.78 AAK1 (0.37) SCN10AAAK1
SCHEMBL16938792 0.78 SCN10A (0.43) SCN10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed